Compile Data Set for Download or QSAR

Found 439 hits with Last Name = 'wong' and Initial = 'tw'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235550 (1-(4-(5-((4-aminocyclohexylidene)methyl)pyrrolo[1,...) Show SMILES NC1CCC(CC1)=Cc1ccn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 Show InChI InChI=1S/C28H26F2N6O3/c29-20-5-1-18(2-6-20)14-25(37)35-28(38)34-22-9-10-24(23(30)15-22)39-27-26-19(11-12-36(26)33-16-32-27)13-17-3-7-21(31)8-4-17/h1-2,5-6,9-13,15-16,21H,3-4,7-8,14,31H2,(H2,34,35,37,38)/b17-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system				Bioorg Med Chem Lett 18: 1945-51 (2008) Article DOI: 10.1016/j.bmcl.2008.01.121 BindingDB Entry DOI: 10.7270/Q2125SFV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333377 (5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo...) Show SMILES Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1 Show InChI InChI=1S/C19H24N6/c1-14-2-4-17(5-3-14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333378 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1 Show InChI InChI=1S/C18H21FN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333380 (5-((4-aminopiperidin-1-yl)methyl)-N-phenylpyrrolo[...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1 Show InChI InChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217195 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-((5-methylp...) Show SMILES Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1 Show InChI InChI=1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208409 ((S)-1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino...) Show SMILES O[C@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C26H27FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,23,28,36H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,28?	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299487 (CHEMBL565714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCCN1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2| Show InChI InChI=1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-26(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217188 (CHEMBL248322 | [5-(4-amino-piperidin-1-ylmethyl)-p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc[n+]5[O-])c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O2/c25-21-13-19(4-5-22(21)34-15-20-3-1-2-9-32(20)33)29-24-23-17(6-12-31(23)28-16-27-24)14-30-10-7-18(26)8-11-30/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204120 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217195 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-((5-methylp...) Show SMILES Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1 Show InChI InChI=1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333382 (5-((4-aminopiperidin-1-yl)methyl)-N-o-tolylpyrrolo...) Show SMILES Cc1ccccc1Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C19H24N6/c1-14-4-2-3-5-17(14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM13911 (4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...) Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells				Bioorg Med Chem Lett 15: 4774-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.027 BindingDB Entry DOI: 10.7270/Q2XD1172
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM13911 (4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...) Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...				Bioorg Med Chem Lett 15: 4774-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.027 BindingDB Entry DOI: 10.7270/Q2XD1172
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299490 (CHEMBL567873 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H30N8O3/c1-2-22-24-26(30-17-31-27(24)34-25(22)35-28(37)39-16-21-15-38-11-10-29-21)33-20-8-9-23-19(12-20)13-32-36(23)14-18-6-4-3-5-7-18/h3-9,12-13,17,21,27,29H,2,10-11,14-16H2,1H3,(H,30,31,33)(H,34,35,37)/t21-,27?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299487 (CHEMBL565714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCCN1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2| Show InChI InChI=1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-26(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217206 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O/c25-21-13-19(4-5-22(21)33-15-20-3-1-2-9-27-20)30-24-23-17(6-12-32(23)29-16-28-24)14-31-10-7-18(26)8-11-31/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299492 (CHEMBL583218 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-20-10-12-30-13-11-20)34-22-8-9-24-21(14-22)15-33-37(24)16-19-6-4-3-5-7-19/h3-9,14-15,18,20,28,30H,2,10-13,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,28?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208409 ((S)-1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino...) Show SMILES O[C@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C26H27FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,23,28,36H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human EGFR				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217186 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C23H25ClN8O/c24-20-11-18(1-2-21(20)33-14-19-12-26-6-7-27-19)30-23-22-16(3-10-32(22)29-15-28-23)13-31-8-4-17(25)5-9-31/h1-3,6-7,10-12,15,17H,4-5,8-9,13-14,25H2,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299493 (CHEMBL566350 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCCN1CCCCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2| Show InChI InChI=1S/C30H34N8O2/c1-2-24-26-28(34-23-11-12-25-22(17-23)18-33-38(25)19-21-9-5-3-6-10-21)31-20-32-29(26)35-27(24)36-30(39)40-16-15-37-13-7-4-8-14-37/h3,5-6,9-12,17-18,20,29H,2,4,7-8,13-16,19H2,1H3,(H,31,32,34)(H,35,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299494 (CHEMBL584714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCCNC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-20-9-6-12-30-14-20)34-22-10-11-24-21(13-22)15-33-37(24)16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,15,18,20,28,30H,2,6,9,12,14,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299492 (CHEMBL583218 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-20-10-12-30-13-11-20)34-22-8-9-24-21(14-22)15-33-37(24)16-19-6-4-3-5-7-19/h3-9,14-15,18,20,28,30H,2,10-13,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299495 (CHEMBL566559 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-22-10-6-7-13-30-22)34-21-11-12-24-20(14-21)15-33-37(24)16-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,18,22,28,30H,2,6-7,10,13,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235548 (CHEMBL254280 | N1-(4-(6-(3-(dimethylamino)propoxy)...) Show SMILES CN(C)CCCOc1cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c2c1C Show InChI InChI=1S/C27H28F2N6O4/c1-17-23(38-12-4-11-34(2)3)15-35-26(17)27(30-16-31-35)39-22-10-9-20(13-21(22)29)33-25(37)14-24(36)32-19-7-5-18(28)6-8-19/h5-10,13,15-16H,4,11-12,14H2,1-3H3,(H,32,36)(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system				Bioorg Med Chem Lett 18: 1945-51 (2008) Article DOI: 10.1016/j.bmcl.2008.01.121 BindingDB Entry DOI: 10.7270/Q2125SFV
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235540 (2,6-difluoro-N-(3-fluoro-4-(5-methyl-6-(2-(4-methy...) Show SMILES CN1CCN(CCOc2cn3ncnc(Oc4ccc(NC(=O)c5c(F)cccc5F)cc4F)c3c2C)CC1 Show InChI InChI=1S/C27H27F3N6O3/c1-17-23(38-13-12-35-10-8-34(2)9-11-35)15-36-25(17)27(31-16-32-36)39-22-7-6-18(14-21(22)30)33-26(37)24-19(28)4-3-5-20(24)29/h3-7,14-16H,8-13H2,1-2H3,(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system				Bioorg Med Chem Lett 18: 1945-51 (2008) Article DOI: 10.1016/j.bmcl.2008.01.121 BindingDB Entry DOI: 10.7270/Q2125SFV
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235572 (CHEMBL400332 | N-(4-(6-(3-(dimethylamino)propoxy)-...) Show SMILES CN(C)CCCOc1cn2ncnc(Oc3ccc(NC(=O)c4c(F)cccc4F)cc3F)c2c1C Show InChI InChI=1S/C25H24F3N5O3/c1-15-21(35-11-5-10-32(2)3)13-33-23(15)25(29-14-30-33)36-20-9-8-16(12-19(20)28)31-24(34)22-17(26)6-4-7-18(22)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system				Bioorg Med Chem Lett 18: 1945-51 (2008) Article DOI: 10.1016/j.bmcl.2008.01.121 BindingDB Entry DOI: 10.7270/Q2125SFV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM13921 (4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(...) Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...				Bioorg Med Chem Lett 15: 4774-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.027 BindingDB Entry DOI: 10.7270/Q2XD1172
					More data for this Ligand-Target Pair

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